1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione

C25H19F3N2O3 — CID 110595966

IUPAC1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESCOc1ccc(C)cc1N1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccccc2)C1=O
InChIInChI=1S/C25H19F3N2O3/c1-15-11-12-20(33-2)19(13-15)30-23(31)21(16-7-4-3-5-8-16)22(24(30)32)29-18-10-6-9-17(14-18)25(26,27)28/h3-14,29H,1-2H3
InChIKeyAXKFWTFOPWOKOV-UHFFFAOYSA-N
MW452.43 g/mol
LogP5.42
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione

1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione (PubChem CID 110595966) has the molecular formula C25H19F3N2O3 and a molecular weight of 452.43 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
PubChem CID110595966
Molecular FormulaC25H19F3N2O3
Molecular Weight452.43 g/mol
Exact Mass452.13
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
SMILESCOc1ccc(C)cc1N1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccccc2)C1=O
InChIInChI=1S/C25H19F3N2O3/c1-15-11-12-20(33-2)19(13-15)30-23(31)21(16-7-4-3-5-8-16)22(24(30)32)29-18-10-6-9-17(14-18)25(26,27)28/h3-14,29H,1-2H3
InChIKeyAXKFWTFOPWOKOV-UHFFFAOYSA-N
XLogP5.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110595951
1-(2,4-dimethoxyphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595630
1-(3-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110595609
3-(3,4-dimethoxyphenyl)-1-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110597215
1-(2,4-dimethylphenyl)-3-(2-methoxyphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110598504
3-[4-(dimethylamino)anilino]-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595959
1-(2,5-dimethoxyphenyl)-3-(3-fluoroanilino)-4-phenylpyrrole-2,5-dione
CID 110595308
3-(2,5-dimethoxyanilino)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595970
1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110593323
3-(3,5-dimethylanilino)-4-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110587353
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595852
3-(3-methoxyanilino)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110596141

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione (CID 110595966) is 1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione is COc1ccc(C)cc1N1C(=O)C(Nc2cccc(C(F)(F)F)c2)=C(c2ccccc2)C1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
The InChIKey is AXKFWTFOPWOKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3/c1-15-11-12-20(33-2)19(13-15)30-23(31)21(16-7-4-3-5-8-16)22(24(30)32)29-18-10-6-9-17(14-18)25(26,27)28/h3-14,29H,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione?
1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione has a molecular weight of 452.43 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-phenyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 110595966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).